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20032021
most citedCohesive and magnetic properties of grain boundaries in bcc Fe with Cr additions

101 citations · 403 across the 9 of their papers we have counts for

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cond-mat.mtrl-sci2005★ 96 cited

Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces

Adam Kiejna, Georg Kresse, Jutta Rogal +3

We scrutinize the accuracy of the pseudopotential approximation in density-functional theory (DFT) calculations of surfaces by systematically comparing to results obtained within a…